[(3R,5S)-1-benzyl-5-[(6-methyl-3-pyridinyl)oxymethyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone

C24H31N3O2 — CID 131902956

IUPAC[(3R,5S)-1-benzyl-5-[(6-methyl-3-pyridinyl)oxymethyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCc1ccc(OC[C@H]2C[C@@H](C(=O)N3CCCC3)CN(Cc3ccccc3)C2)cn1
InChIInChI=1S/C24H31N3O2/c1-19-9-10-23(14-25-19)29-18-21-13-22(24(28)27-11-5-6-12-27)17-26(16-21)15-20-7-3-2-4-8-20/h2-4,7-10,14,21-22H,5-6,11-13,15-18H2,1H3/t21-,22+/m0/s1
InChIKeyAIKVKBDKWZQOFK-FCHUYYIVSA-N
MW393.53 g/mol
LogP3.53
Rot. Bonds6

About [(3R,5S)-1-benzyl-5-[(6-methyl-3-pyridinyl)oxymethyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone

[(3R,5S)-1-benzyl-5-[(6-methyl-3-pyridinyl)oxymethyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 131902956) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is [(3R,5S)-1-benzyl-5-[(6-methyl-3-pyridinyl)oxymethyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(3R,5S)-1-benzyl-5-[(6-methyl-3-pyridinyl)oxymethyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID131902956
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name[(3R,5S)-1-benzyl-5-[(6-methyl-3-pyridinyl)oxymethyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCc1ccc(OC[C@H]2C[C@@H](C(=O)N3CCCC3)CN(Cc3ccccc3)C2)cn1
InChIInChI=1S/C24H31N3O2/c1-19-9-10-23(14-25-19)29-18-21-13-22(24(28)27-11-5-6-12-27)17-26(16-21)15-20-7-3-2-4-8-20/h2-4,7-10,14,21-22H,5-6,11-13,15-18H2,1H3/t21-,22+/m0/s1
InChIKeyAIKVKBDKWZQOFK-FCHUYYIVSA-N
XLogP3.53
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3R,5S)-1-benzyl-5-[(6-methyl-3-pyridinyl)oxymethyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

(3R,5S)-N-(2-acetamidoethyl)-1-benzyl-5-[(6-methyl-3-pyridinyl)oxymethyl]piperidine-3-carboxamide
CID 56858839
[3-(dimethylamino)pyrrolidin-1-yl]-[(3R,5S)-5-[(6-methyl-3-pyridinyl)oxymethyl]-1-(naphthalen-2-ylmethyl)piperidin-3-yl]methanone
CID 56857916
(1-benzylazepan-4-yl)-[3-[(6-methyl-3-pyridinyl)oxy]azetidin-1-yl]methanone
CID 159937564
(3R,5S)-1-(2-methylpropyl)-5-[(6-methyl-3-pyridinyl)oxymethyl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 56856860
(3R,5S)-5-[(6-methyl-3-pyridinyl)oxymethyl]-1-(2-phenylethyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 56858161
[(3R,5S)-5-[(3-fluorophenoxy)methyl]-1-[(4-hydroxyphenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 56857310
(3R,5S)-5-[(6-methyl-3-pyridinyl)oxymethyl]-N-(3-morpholin-4-ylpropyl)-1-(naphthalen-2-ylmethyl)piperidine-3-carboxamide
CID 56853072
(3R,5S)-N-[(2-methoxyphenyl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1-(naphthalen-2-ylmethyl)piperidine-3-carboxamide
CID 56859162
(3R,5S)-N-[(3,4-dimethoxyphenyl)methyl]-1-[(4-hydroxyphenyl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]piperidine-3-carboxamide
CID 56856511
[(3R,5S)-5-[(3-fluorophenoxy)methyl]-1-(naphthalen-2-ylmethyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 56852965
(1-benzylpyrrolidin-3-yl)-pyrrolidin-1-ylmethanone
CID 67294243
[(3R)-1-benzylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 756196

Frequently Asked Questions

What is the IUPAC name of [(3R,5S)-1-benzyl-5-[(6-methyl-3-pyridinyl)oxymethyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(3R,5S)-1-benzyl-5-[(6-methyl-3-pyridinyl)oxymethyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone (CID 131902956) is [(3R,5S)-1-benzyl-5-[(6-methyl-3-pyridinyl)oxymethyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(3R,5S)-1-benzyl-5-[(6-methyl-3-pyridinyl)oxymethyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(3R,5S)-1-benzyl-5-[(6-methyl-3-pyridinyl)oxymethyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone is Cc1ccc(OC[C@H]2C[C@@H](C(=O)N3CCCC3)CN(Cc3ccccc3)C2)cn1.
What is the InChIKey of [(3R,5S)-1-benzyl-5-[(6-methyl-3-pyridinyl)oxymethyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is AIKVKBDKWZQOFK-FCHUYYIVSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-19-9-10-23(14-25-19)29-18-21-13-22(24(28)27-11-5-6-12-27)17-26(16-21)15-20-7-3-2-4-8-20/h2-4,7-10,14,21-22H,5-6,11-13,15-18H2,1H3/t21-,22+/m0/s1.
What are the key properties of [(3R,5S)-1-benzyl-5-[(6-methyl-3-pyridinyl)oxymethyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
[(3R,5S)-1-benzyl-5-[(6-methyl-3-pyridinyl)oxymethyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 393.53 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5S)-1-benzyl-5-[(6-methyl-3-pyridinyl)oxymethyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 131902956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).